Vitas-M small molecule compound
ethyl 2-({[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK375565
SMILES CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H32N2O4S MW 528.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O4S/c1-3-36-21-17-15-20(16-18-21)26-19-24(22-11-9-10-13-25(22)32-26)29(34)33-30-28(31(35)37-4-2)23-12-7-5-6-8-14-27(23)38-30/h9-11,13,15-19H,3-8,12,14H2,1-2H3,(H,33,34)InChIKey
XTCSWJOHTVYKJC-UHFFFAOYSA-NSynonyms
352679-10-8352679108
CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OCC
ethyl2(((2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2(4ethoxyphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC31H32N2O4Sc133621171520(161821)261924(22119101325(22)3226)29(34)333028(31(35)3742)231275681427(23)3830h911131519H381214H212H3(H3334)
MFCD01345051
ZINC000002081902
ZINC02081902
ZINC2081902
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